Information card for entry 7114067

Structure parameters

• Chemical name: Bis[(1-isopropylmethyl-methylene-oxy-5-yl)(2-isopropylmethyl- methylene-oxo-4-yl)imidazol-2-ylidene]palladium diiodide chloroform solvate
• Formula: C28 H42 Cl6 I2 N4 O4 Pd
• Calculated formula: C28 H40 Cl6 I2 N4 O4 Pd
• Title of publication: Oxazolines as chiral building blocks for imidazolium salts and N-heterocyclic carbene ligandsElectronic supplementary information (ESI) available: spectroscopic data for 10 and 12. See http://www.rsc.org/suppdata/cc/b2/b208045a/
• Authors of publication: Glorius, Frank; Altenhoff, Gereon; Goddard, Richard; Lehmann, Christian
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 2704
• a: 12.257 ± 0.003 Å
• b: 13.001 ± 0.003 Å
• c: 12.305 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1960.8 ± 0.8 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No